N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(3,5-dimethoxybenzoyl)piperazino]phenyl]-piperonylamide Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C27H27N3O6/c1-33-22-13-19(14-23(16-22)34-2)27(32)30-11-9-29(10-12-30)21-6-4-20(5-7-21)28-26(31)18-3-8-24-25(15-18)36-17-35-24/h3-8,13-16H,9-12,17H2,1-2H3,(H,28,31)